1-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-benzyl-thiourea CAS Name: 1-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-benzylthiourea Traditional Name: 1-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-benzyl-thiourea Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=CC=C1)/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21N3O2S/c1-14(7-8-15-9-10-17-18(11-15)24-13-23-17)21-22-19(25)20-12-16-5-3-2-4-6-16/h2-6,9-11H,7-8,12-13H2,1H3,(H2,20,22,25)/b21-14-